2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane

C36H68N6O8S — CID 170794473

About 2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane

2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane (PubChem CID 170794473) has the molecular formula C36H68N6O8S and a molecular weight of 745.04 g/mol. Its IUPAC name is 2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane.

Molecular Properties

• Compound Name: 2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane
• PubChem CID: 170794473
• Molecular Formula: C36H68N6O8S
• Molecular Weight: 745.04 g/mol
• Exact Mass: 744.48
• IUPAC Name: 2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane
• SMILES: CC(CO)N(C)C.CCC.CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(CO)Cc1nccs1)OC)N(C)C(=O)CNC=O
• InChI: InChI=1S/C28H47N5O7S.C5H13NO.C3H8/c1-7-18(2)26(32(4)25(37)15-29-17-35)22(39-5)14-24(36)33-11-8-9-21(33)27(40-6)19(3)28(38)31-20(16-34)13-23-30-10-12-41-23;1-5(4-7)6(2)3;1-3-2/h10,12,17-22,26-27,34H,7-9,11,13-16H2,1-6H3,(H,29,35)(H,31,38);5,7H,4H2,1-3H3;3H2,1-2H3
• InChIKey: SHPQBMHAGKXCJX-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 173.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.04
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane?

The IUPAC name of 2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane (CID 170794473) is 2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane.

What is the SMILES notation for 2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane?

The canonical SMILES for 2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane is CC(CO)N(C)C.CCC.CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(CO)Cc1nccs1)OC)N(C)C(=O)CNC=O.

What is the InChIKey of 2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane?

The InChIKey is SHPQBMHAGKXCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47N5O7S.C5H13NO.C3H8/c1-7-18(2)26(32(4)25(37)15-29-17-35)22(39-5)14-24(36)33-11-8-9-21(33)27(40-6)19(3)28(38)31-20(16-34)13-23-30-10-12-41-23;1-5(4-7)6(2)3;1-3-2/h10,12,17-22,26-27,34H,7-9,11,13-16H2,1-6H3,(H,29,35)(H,31,38);5,7H,4H2,1-3H3;3H2,1-2H3.

What are the key properties of 2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane?

2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane has a molecular weight of 745.04 g/mol, XLogP of 2.17, 20 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)propan-1-ol;3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-[1-hydroxy-3-(1,3-thiazol-2-yl)propan-2-yl]-3-methoxy-2-methylpropanamide;propane is sourced from PubChem (CID 170794473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).